BDBM466972 (2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid lithium salt::US10800778, Example 33

SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O

InChI Key InChIKey=CZCMDCKIUIXEQC-LOJRBXKRSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 466972   

TargetBeta-lactamase TEM(Escherichia coli)
Entasis Therapeutics

US Patent
LigandPNGBDBM466972((2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Affinity DataIC50:  3.20nMAssay Description:A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-lactamase(Klebsiella pneumoniae)
Entasis Therapeutics

US Patent
LigandPNGBDBM466972((2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Affinity DataIC50:  77nMAssay Description:A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-lactamase(Escherichia coli)
Entasis Therapeutics

US Patent
LigandPNGBDBM466972((2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...)
Affinity DataIC50:  160nMAssay Description:A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent